[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(2-methylpiperidino)sulfonylphenyl]-[4-(3-thenyl)piperazino]methanone Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C22H29N3O3S2/c1-18-4-2-3-10-25(18)30(27,28)21-7-5-20(6-8-21)22(26)24-13-11-23(12-14-24)16-19-9-15-29-17-19/h5-9,15,17-18H,2-4,10-14,16H2,1H3