N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[(3-methyl-1-piperidyl)methyl]phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)methyl]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-[(3-methylpiperidino)methyl]phenyl]-2-nitro-benzenesulfonamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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