N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butyramide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NCCC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CCCC(=O)NCCC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O4S2/c1-24(30(26,27)17-11-9-16(28-2)10-12-17)15-5-8-20(25)22-14-13-21-23-18-6-3-4-7-19(18)29-21/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,22,25)