3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-nitrophenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-nitrophenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-nitrophenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-nitrophenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-nitrophenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-nitrophenyl)propionamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c25-21(22-18-6-5-7-19(16-18)24(26)27)13-10-17-8-11-20(12-9-17)30(28,29)23-14-3-1-2-4-15-23/h5-9,11-12,16H,1-4,10,13-15H2,(H,22,25)