1-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[2-methoxy-5-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[2-methoxy-5-(3-methylpiperidino)sulfonyl-phenyl]-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C23H30N4O7S2 MolecularWeight: 538.6369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O7S2/c1-18-5-4-10-26(17-18)36(32,33)21-8-9-23(34-2)22(16-21)24-11-13-25(14-12-24)35(30,31)20-7-3-6-19(15-20)27(28)29/h3,6-9,15-16,18H,4-5,10-14,17H2,1-2H3