2-nitro-N,N-bis(phenylmethyl)-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-aniline

Systemtic Name: 2-nitro-N,N-bis(phenylmethyl)-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-aniline Openeye Name: N,N-dibenzyl-2-nitro-4-[[4-(1-piperidyl)-1-piperidyl]sulfonyl]aniline CAS Name: 2-nitro-N,N-bis(phenylmethyl)-4-[[4-(1-piperidinyl)-1-piperidinyl]sulfonyl]aniline IUPAC Name: N,N-dibenzyl-2-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylaniline Traditional Name: dibenzyl-[2-nitro-4-(4-piperidinopiperidino)sulfonyl-phenyl]amine Formula: C30H36N4O4S MolecularWeight: 548.69624

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H36N4O4S/c35-34(36)30-22-28(39(37,38)33-20-16-27(17-21-33)31-18-8-3-9-19-31)14-15-29(30)32(23-25-10-4-1-5-11-25)24-26-12-6-2-7-13-26/h1-2,4-7,10-15,22,27H,3,8-9,16-21,23-24H2