azepan-1-yl-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-yl]methanone Openeye Name: azepan-1-yl-[5-[[4-(1-piperidyl)-1-piperidyl]sulfonyl]-3-thienyl]methanone CAS Name: 1-azepanyl-[5-[[4-(1-piperidinyl)-1-piperidinyl]sulfonyl]-3-thiophenyl]methanone IUPAC Name: azepan-1-yl-[5-(4-piperidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-yl]methanone Traditional Name: azepan-1-yl-[5-(4-piperidinopiperidino)sulfonyl-3-thienyl]methanone Formula: C21H33N3O3S2 MolecularWeight: 439.63502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCC(CC3)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C21H33N3O3S2/c25-21(23-12-4-1-2-5-13-23)18-16-20(28-17-18)29(26,27)24-14-8-19(9-15-24)22-10-6-3-7-11-22/h16-17,19H,1-15H2