1-[(4-methylphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(4-nitrophenyl)sulfonyl-4-(p-tolylmethyl)-1,4-diazepane CAS Name: 1-[(4-methylphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[(4-methylphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(4-methylbenzyl)-4-nosyl-1,4-diazepane Formula: C19H23N3O4S MolecularWeight: 389.46862

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-16-3-5-17(6-4-16)15-20-11-2-12-21(14-13-20)27(25,26)19-9-7-18(8-10-19)22(23)24/h3-10H,2,11-15H2,1H3