(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-methyl-3-(1-piperidylsulfonyl)phenyl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: [4-methyl-3-(1-piperidinylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: (4-methyl-3-piperidinosulfonyl-phenyl)-[4-(2-thenyl)piperazino]methanone Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CS3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CS3)S(=O)(=O)N4CCCCC4

InChI

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