4-[(4-chloranyl-2-methyl-phenyl)amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-chloranyl-2-methyl-phenyl)amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(4-chloro-2-methyl-anilino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-chloro-2-methylanilino)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-chloro-2-methylanilino)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-chloro-2-methyl-anilino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN4O4S/c1-12-10-13(18)4-6-15(12)20-16-7-5-14(11-17(16)22(23)24)27(25,26)19-8-9-21(2)3/h4-7,10-11,19-20H,8-9H2,1-3H3