N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-veratryl-amine Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S/c1-15-5-4-10-23(14-15)31(27,28)17-7-8-18(19(12-17)24(25)26)22-13-16-6-9-20(29-2)21(11-16)30-3/h6-9,11-12,15,22H,4-5,10,13-14H2,1-3H3