1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]propan-1-one Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C18H29N3O3S2/c1-15-7-8-17(25-15)26(23,24)21-13-11-19(12-14-21)16(2)18(22)20-9-5-3-4-6-10-20/h7-8,16H,3-6,9-14H2,1-2H3