N-(2-dimethylaminoethyl)-N-(4-nitrophenyl)butane-1-sulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-nitrophenyl)butane-1-sulfonamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-nitrophenyl)butane-1-sulfonamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-nitrophenyl)-1-butanesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-nitrophenyl)butane-1-sulfonamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-nitrophenyl)butane-1-sulfonamide Formula: C14H23N3O4S MolecularWeight: 329.41512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CCN(C)C)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)N(CCN(C)C)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H23N3O4S/c1-4-5-12-22(20,21)16(11-10-15(2)3)13-6-8-14(9-7-13)17(18)19/h6-9H,4-5,10-12H2,1-3H3