1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-4-(p-tolylmethyl)-1,4-diazepane CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-4-(4-methylbenzyl)-1,4-diazepane Formula: C20H24ClN3O4S MolecularWeight: 437.94026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-15-4-6-17(7-5-15)14-22-8-3-9-23(11-10-22)29(27,28)18-12-19(21)16(2)20(13-18)24(25)26/h4-7,12-13H,3,8-11,14H2,1-2H3