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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)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/c1-14-4-3-9-23(12-14)31(27,28)17-6-7-18(19(11-17)24(25)26)22-15(2)16-5-8-20-21(10-16)30-13-29-20/h5-8,10-11,14-15,22H,3-4,9,12-13H2,1-2H3/t14-,15-/m0/s1