N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C25H23ClN2O4S2 MolecularWeight: 515.04412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN2O4S2/c1-32-20-10-12-21(13-11-20)34(30,31)15-5-8-24(29)28(17-18-6-3-2-4-7-18)25-27-22-14-9-19(26)16-23(22)33-25/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3