N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-benzyl-3-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: N-benzyl-3-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)propionamide Formula: C24H21ClN2O3S2 MolecularWeight: 485.01814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H21ClN2O3S2/c25-20-11-12-21-22(15-20)31-24(26-21)27(16-18-7-3-1-4-8-18)23(28)13-14-32(29,30)17-19-9-5-2-6-10-19/h1-12,15H,13-14,16-17H2