1-benzothiophen-2-yl-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-[2-methoxy-5-[(3-methyl-1-piperidyl)sulfonyl]phenyl]piperazin-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinyl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]piperazin-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-[2-methoxy-5-(3-methylpiperidino)sulfonyl-phenyl]piperazino]methanone Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C26H31N3O4S2/c1-19-6-5-11-29(18-19)35(31,32)21-9-10-23(33-2)22(17-21)27-12-14-28(15-13-27)26(30)25-16-20-7-3-4-8-24(20)34-25/h3-4,7-10,16-17,19H,5-6,11-15,18H2,1-2H3