2-nitro-N-(phenylmethyl)-5-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]aniline

Systemtic Name: 2-nitro-N-(phenylmethyl)-5-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]aniline Openeye Name: N-benzyl-2-nitro-5-(4-tetralin-6-ylsulfonylpiperazin-1-yl)aniline CAS Name: 2-nitro-N-(phenylmethyl)-5-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]aniline IUPAC Name: N-benzyl-2-nitro-5-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]aniline Traditional Name: benzyl-[2-nitro-5-(4-tetralin-6-ylsulfonylpiperazino)phenyl]amine Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O4S/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/h1-3,6-7,10-13,18-19,28H,4-5,8-9,14-17,20H2