5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-aniline CAS Name: 5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: benzyl-[5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]amine Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H26N4O4S/c32-31(33)27-13-11-24(19-26(27)28-20-21-6-2-1-3-7-21)29-14-16-30(17-15-29)36(34,35)25-12-10-22-8-4-5-9-23(22)18-25/h1-13,18-19,28H,14-17,20H2