N-[1-[[1-(3-bromanyl-4-piperidin-4-yloxy-phenyl)sulfonylazepan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-[[1-(3-bromanyl-4-piperidin-4-yloxy-phenyl)sulfonylazepan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[[1-[3-bromo-4-(4-piperidyloxy)phenyl]sulfonylazepan-3-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[1-[[1-[3-bromo-4-(4-piperidinyloxy)phenyl]sulfonyl-3-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[[1-(3-bromo-4-piperidin-4-yloxyphenyl)sulfonylazepan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[[1-[3-bromo-4-(4-piperidyloxy)phenyl]sulfonylazepan-3-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C32H41BrN4O5S2 MolecularWeight: 705.72574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3CCNCC3)Br)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3CCNCC3)Br)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C32H41BrN4O5S2/c1-21(2)17-27(36-32(39)30-18-22-7-3-4-9-29(22)43-30)31(38)35-23-8-5-6-16-37(20-23)44(40,41)25-10-11-28(26(33)19-25)42-24-12-14-34-15-13-24/h3-4,7,9-11,18-19,21,23-24,27,34H,5-6,8,12-17,20H2,1-2H3,(H,35,38)(H,36,39)