N-[(2-methylphenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(2-methylphenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: 2-nitro-N-(o-tolylmethyl)-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(2-methylphenyl)methyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(2-methylphenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: (2-methylbenzyl)-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

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