2-(2-phenylethenylsulfonyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-phenylethenylsulfonyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-styrylsulfonyl-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-phenylethenylsulfonyl)-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-phenylethenylsulfonyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-styrylsulfonyl-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CS(=O)(=O)C=CC2=CC=CC=C2)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CS(=O)(=O)C=CC2=CC=CC=C2)CC3=NC=CS3

InChI

InChI=1S/C19H23N3O3S2/c23-19(16-27(24,25)14-7-17-5-2-1-3-6-17)22-10-4-9-21(11-12-22)15-18-20-8-13-26-18/h1-3,5-8,13-14H,4,9-12,15-16H2