4-(4-tert-butylphenyl)sulfonyl-1-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)piperazin-2-amine

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-1-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)piperazin-2-amine Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-1-(4-nitrophenyl)-N-(3-pyridylmethyl)piperazin-2-amine CAS Name: 4-(4-tert-butylphenyl)sulfonyl-1-(4-nitrophenyl)-N-(3-pyridinylmethyl)-2-piperazinamine IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-1-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)piperazin-2-amine Traditional Name: [4-(4-tert-butylphenyl)sulfonyl-1-(4-nitrophenyl)piperazin-2-yl]-(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(C(C2)NCC3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2)NCC3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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