(2R)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)N[C@H](C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O3S2/c1-14(22-17-7-10-19-20(13-17)29-15(2)23-19)21(26)24-16-5-8-18(9-6-16)30(27,28)25-11-3-4-12-25/h5-10,13-14,22H,3-4,11-12H2,1-2H3,(H,24,26)/t14-/m1/s1