N-(1,3-diphenylpropan-2-yl)-2-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-aniline

Systemtic Name: N-(1,3-diphenylpropan-2-yl)-2-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-aniline Openeye Name: N-(1-benzyl-2-phenyl-ethyl)-2-nitro-4-[[4-(1-piperidyl)-1-piperidyl]sulfonyl]aniline CAS Name: N-(1,3-diphenylpropan-2-yl)-2-nitro-4-[[4-(1-piperidinyl)-1-piperidinyl]sulfonyl]aniline IUPAC Name: N-(1,3-diphenylpropan-2-yl)-2-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylaniline Traditional Name: (1-benzyl-2-phenyl-ethyl)-[2-nitro-4-(4-piperidinopiperidino)sulfonyl-phenyl]amine Formula: C31H38N4O4S MolecularWeight: 562.72282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H38N4O4S/c36-35(37)31-24-29(40(38,39)34-20-16-28(17-21-34)33-18-8-3-9-19-33)14-15-30(31)32-27(22-25-10-4-1-5-11-25)23-26-12-6-2-7-13-26/h1-2,4-7,10-15,24,27-28,32H,3,8-9,16-23H2