N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

InChI

InChI=1S/C20H21N3O3S2/c21-13-17-16-5-1-2-6-18(16)27-20(17)22-19(24)14-7-9-15(10-8-14)28(25,26)23-11-3-4-12-23/h7-10H,1-6,11-12H2,(H,22,24)