N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H29N3O3S2/c1-16-9-10-17(14-20(16)29(26,27)24-11-5-4-6-12-24)21(25)22-15-18(23(2)3)19-8-7-13-28-19/h7-10,13-14,18H,4-6,11-12,15H2,1-3H3,(H,22,25)