N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C21H30N4O3S3 MolecularWeight: 482.6829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC(=CS3)CN4CCCCCC4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC(=CS3)CN4CCCCCC4

InChI

InChI=1S/C21H30N4O3S3/c1-16-8-9-19(30-16)31(27,28)25-12-6-7-17(13-25)20(26)23-21-22-18(15-29-21)14-24-10-4-2-3-5-11-24/h8-9,15,17H,2-7,10-14H2,1H3,(H,22,23,26)