4-(azepan-1-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyphenyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide Formula: C26H34N4O7S MolecularWeight: 546.63576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H34N4O7S/c1-19(2)37-25-10-8-21(38(34,35)29-13-15-36-16-14-29)18-22(25)27-26(31)20-7-9-23(24(17-20)30(32)33)28-11-5-3-4-6-12-28/h7-10,17-19H,3-6,11-16H2,1-2H3,(H,27,31)