N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(C)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N[C@H](C)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-14-7-9-23(10-8-14)31(27,28)17-4-5-18(19(12-17)24(25)26)22-15(2)16-3-6-20-21(11-16)30-13-29-20/h3-6,11-12,14-15,22H,7-10,13H2,1-2H3/t15-/m1/s1