N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,2-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,2-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,2-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,2-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,2-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,2-dimethyl-5-nitro-benzenesulfonamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C25H27N3O4S/c1-19-12-15-22(28(29)30)18-25(19)33(31,32)26(2)16-7-17-27-23-10-5-3-8-20(23)13-14-21-9-4-6-11-24(21)27/h3-6,8-12,15,18H,7,13-14,16-17H2,1-2H3