1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(2-methyl-5-nitrophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O4S/c1-16-8-9-18(22(23)24)14-19(16)27(25,26)21-11-5-10-20(12-13-21)15-17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15H2,1H3