4-chloranyl-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22ClN3O3S2/c1-13-4-6-15-16(12-23)21(29-18(15)10-13)24-20(26)14-5-7-17(22)19(11-14)30(27,28)25-8-2-3-9-25/h5,7,11,13H,2-4,6,8-10H2,1H3,(H,24,26)/t13-/m0/s1