N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(azepan-1-ylsulfonyl)benzamide

Systemtic Name: N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(azepan-1-ylsulfonyl)benzamide Openeye Name: N-[4-[4-(acetamidomethyl)phenyl]thiazol-2-yl]-4-(azepan-1-ylsulfonyl)benzamide CAS Name: N-[4-[4-(acetamidomethyl)phenyl]-2-thiazolyl]-4-(1-azepanylsulfonyl)benzamide IUPAC Name: N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(azepan-1-ylsulfonyl)benzamide Traditional Name: N-[4-[4-(acetamidomethyl)phenyl]thiazol-2-yl]-4-(azepan-1-ylsulfonyl)benzamide Formula: C25H28N4O4S2 MolecularWeight: 512.64422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H28N4O4S2/c1-18(30)26-16-19-6-8-20(9-7-19)23-17-34-25(27-23)28-24(31)21-10-12-22(13-11-21)35(32,33)29-14-4-2-3-5-15-29/h6-13,17H,2-5,14-16H2,1H3,(H,26,30)(H,27,28,31)