N-[(2S)-1-[3-[(2-bromanyl-4-fluoranyl-phenyl)sulfonyl-methyl-amino]propylamino]-3-cyclopentyl-1-oxidanylidene-propan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[3-[(2-bromanyl-4-fluoranyl-phenyl)sulfonyl-methyl-amino]propylamino]-3-cyclopentyl-1-oxidanylidene-propan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-2-[3-[(2-bromo-4-fluoro-phenyl)sulfonyl-methyl-amino]propylamino]-1-(cyclopentylmethyl)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(2-bromo-4-fluorophenyl)sulfonyl-methylamino]propylamino]-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(2-bromo-4-fluorophenyl)sulfonyl-methylamino]propylamino]-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-2-[3-[(2-bromo-4-fluoro-phenyl)sulfonyl-methyl-amino]propylamino]-1-(cyclopentylmethyl)-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C27H31BrFN3O4S2 MolecularWeight: 624.585143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C(CC1CCCC1)NC(=O)C2=CC3=CC=CC=C3S2)S(=O)(=O)C4=C(C=C(C=C4)F)Br

Isomeric SMILES

CN(CCCNC(=O)[C@H](CC1CCCC1)NC(=O)C2=CC3=CC=CC=C3S2)S(=O)(=O)C4=C(C=C(C=C4)F)Br

InChI

InChI=1S/C27H31BrFN3O4S2/c1-32(38(35,36)25-12-11-20(29)17-21(25)28)14-6-13-30-26(33)22(15-18-7-2-3-8-18)31-27(34)24-16-19-9-4-5-10-23(19)37-24/h4-5,9-12,16-18,22H,2-3,6-8,13-15H2,1H3,(H,30,33)(H,31,34)/t22-/m0/s1