azepan-1-yl-[2-methoxy-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-phenyl]methanone

Systemtic Name: azepan-1-yl-[2-methoxy-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-phenyl]methanone Openeye Name: azepan-1-yl-[2-methoxy-5-[4-(p-tolylsulfonyl)piperazin-1-yl]sulfonyl-phenyl]methanone CAS Name: 1-azepanyl-[2-methoxy-5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]sulfonyl]phenyl]methanone IUPAC Name: azepan-1-yl-[2-methoxy-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]methanone Traditional Name: azepan-1-yl-[2-methoxy-5-(4-tosylpiperazino)sulfonyl-phenyl]methanone Formula: C25H33N3O6S2 MolecularWeight: 535.67602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O6S2/c1-20-7-9-21(10-8-20)35(30,31)27-15-17-28(18-16-27)36(32,33)22-11-12-24(34-2)23(19-22)25(29)26-13-5-3-4-6-14-26/h7-12,19H,3-6,13-18H2,1-2H3