5-[[(4-chlorophenyl)sulfonyl-(2-oxidanylidene-5-propan-2-yl-azepan-3-yl)amino]methyl]-N-cyclopropyl-pyridine-2-carboxamide

Systemtic Name: 5-[[(4-chlorophenyl)sulfonyl-(2-oxidanylidene-5-propan-2-yl-azepan-3-yl)amino]methyl]-N-cyclopropyl-pyridine-2-carboxamide Openeye Name: 5-[[(4-chlorophenyl)sulfonyl-(5-isopropyl-2-oxo-azepan-3-yl)amino]methyl]-N-cyclopropyl-pyridine-2-carboxamide CAS Name: 5-[[(4-chlorophenyl)sulfonyl-(2-oxo-5-propan-2-yl-3-azepanyl)amino]methyl]-N-cyclopropyl-2-pyridinecarboxamide IUPAC Name: 5-[[(4-chlorophenyl)sulfonyl-(2-oxo-5-propan-2-ylazepan-3-yl)amino]methyl]-N-cyclopropylpyridine-2-carboxamide Traditional Name: 5-[[(4-chlorophenyl)sulfonyl-(5-isopropyl-2-keto-azepan-3-yl)amino]methyl]-N-cyclopropyl-picolinamide Formula: C25H31ClN4O4S MolecularWeight: 519.05604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCNC(=O)C(C1)N(CC2=CN=C(C=C2)C(=O)NC3CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1CCNC(=O)C(C1)N(CC2=CN=C(C=C2)C(=O)NC3CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H31ClN4O4S/c1-16(2)18-11-12-27-25(32)23(13-18)30(35(33,34)21-8-4-19(26)5-9-21)15-17-3-10-22(28-14-17)24(31)29-20-6-7-20/h3-5,8-10,14,16,18,20,23H,6-7,11-13,15H2,1-2H3,(H,27,32)(H,29,31)