5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 5-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [5-[4-(4-tert-butylphenyl)sulfonylpiperazino]-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C26H31N5O4S MolecularWeight: 509.62044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4

InChI

InChI=1S/C26H31N5O4S/c1-26(2,3)21-6-9-23(10-7-21)36(34,35)30-15-13-29(14-16-30)22-8-11-25(31(32)33)24(17-22)28-19-20-5-4-12-27-18-20/h4-12,17-18,28H,13-16,19H2,1-3H3