1-(2-methoxy-5-nitro-phenyl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine

Systemtic Name: 1-(2-methoxy-5-nitro-phenyl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine Openeye Name: 1-[(4-isopropylphenyl)methyl]-4-(2-methoxy-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(2-methoxy-5-nitrophenyl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine IUPAC Name: 1-(2-methoxy-5-nitrophenyl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine Traditional Name: 1-(4-isopropylbenzyl)-4-(2-methoxy-5-nitro-phenyl)sulfonyl-piperazine Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H27N3O5S/c1-16(2)18-6-4-17(5-7-18)15-22-10-12-23(13-11-22)30(27,28)21-14-19(24(25)26)8-9-20(21)29-3/h4-9,14,16H,10-13,15H2,1-3H3