2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3-nitrophenyl)acetamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c25-20(22-17-6-5-7-18(14-17)24(26)27)15-21-16-8-10-19(11-9-16)30(28,29)23-12-3-1-2-4-13-23/h5-11,14,21H,1-4,12-13,15H2,(H,22,25)