(2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O3S2/c1-16(25(2)15-21-24-19-7-3-4-8-20(19)30-21)22(27)23-17-9-11-18(12-10-17)31(28,29)26-13-5-6-14-26/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,23,27)/t16-/m1/s1