N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-4-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H24BrN3O4S/c1-15-5-4-12-25(14-15)30(28,29)17-10-8-16(9-11-17)21(27)23-13-20(26)24-19-7-3-2-6-18(19)22/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,23,27)(H,24,26)/t15-/m0/s1