N-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[3-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O3S2/c1-29(26,27)22-18-6-4-5-16(13-18)21(25)24-11-9-23(10-12-24)14-17-15-28-20-8-3-2-7-19(17)20/h2-8,13,15,22H,9-12,14H2,1H3