4-[[(6-chloranylpyridin-3-yl)sulfonyl-[(3R)-2-oxidanylideneazepan-3-yl]amino]methyl]-N-(phenylmethyl)benzamide

Systemtic Name: 4-[[(6-chloranylpyridin-3-yl)sulfonyl-[(3R)-2-oxidanylideneazepan-3-yl]amino]methyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-[[(6-chloro-3-pyridyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]benzamide CAS Name: 4-[[(6-chloro-3-pyridinyl)sulfonyl-[(3R)-2-oxo-3-azepanyl]amino]methyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-[[(6-chloropyridin-3-yl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]benzamide Traditional Name: N-benzyl-4-[[(6-chloro-3-pyridyl)sulfonyl-[(3R)-2-ketoazepan-3-yl]amino]methyl]benzamide Formula: C26H27ClN4O4S MolecularWeight: 527.03498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN4O4S/c27-24-14-13-22(17-29-24)36(34,35)31(23-8-4-5-15-28-26(23)33)18-20-9-11-21(12-10-20)25(32)30-16-19-6-2-1-3-7-19/h1-3,6-7,9-14,17,23H,4-5,8,15-16,18H2,(H,28,33)(H,30,32)/t23-/m1/s1