(2R)-N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-pentan-2-yl]-2-[bis(phenylmethyl)amino]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: (2R)-N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-pentan-2-yl]-2-[bis(phenylmethyl)amino]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: (2R)-N-[1-(1,3-benzothiazole-2-carbonyl)butyl]-3-benzylsulfonyl-2-(dibenzylamino)propanamide CAS Name: (2R)-N-[1-(1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-2-[bis(phenylmethyl)amino]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: (2R)-N-[1-(1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-3-benzylsulfonyl-2-(dibenzylamino)propanamide Traditional Name: (2R)-N-[1-(1,3-benzothiazole-2-carbonyl)butyl]-3-benzylsulfonyl-2-(dibenzylamino)propionamide Formula: C36H37N3O4S2 MolecularWeight: 639.82668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C(CS(=O)(=O)CC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)[C@H](CS(=O)(=O)CC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C36H37N3O4S2/c1-2-14-31(34(40)36-38-30-21-12-13-22-33(30)44-36)37-35(41)32(26-45(42,43)25-29-19-10-5-11-20-29)39(23-27-15-6-3-7-16-27)24-28-17-8-4-9-18-28/h3-13,15-22,31-32H,2,14,23-26H2,1H3,(H,37,41)/t31?,32-/m0/s1