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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S2/c23-22(24)18-7-5-6-16(14-18)15-29(25,26)20-17-8-10-19(11-9-17)30(27,28)21-12-3-1-2-4-13-21/h5-11,14,20H,1-4,12-13,15H2