N-[2-(7-chloranyl-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(7-chloranyl-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethyl-5-nitro-benzenesulfonamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NCCC2=C(NC3=C2C=CC=C3Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NCCC2=C(NC3=C2C=CC=C3Cl)C

InChI

InChI=1S/C19H20ClN3O4S/c1-11-9-14(10-18(12(11)2)23(24)25)28(26,27)21-8-7-15-13(3)22-19-16(15)5-4-6-17(19)20/h4-6,9-10,21-22H,7-8H2,1-3H3