N-[4-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[4-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O3S2/c1-15(25)21-16-7-9-17(10-8-16)29(26,27)24-12-4-11-23(13-14-24)20-22-18-5-2-3-6-19(18)28-20/h2-3,5-10H,4,11-14H2,1H3,(H,21,25)