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

Systemtic Name: 2-chloranyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-pyrrolidinosulfonyl-benzamide Formula: C19H22ClN3O3S2 MolecularWeight: 439.97928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C19H22ClN3O3S2/c1-12-4-7-16-17(10-12)27-19(21-16)22-18(24)14-11-13(5-6-15(14)20)28(25,26)23-8-2-3-9-23/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,22,24)/t12-/m0/s1