3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-thiophen-2-yl-propanamide

Systemtic Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-[4-(1-azepanylsulfonyl)phenyl]-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-thienyl)propionamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC=CS3

InChI

InChI=1S/C21H27N3O4S2/c1-16(25)22-19(20-7-6-14-29-20)15-21(26)23-17-8-10-18(11-9-17)30(27,28)24-12-4-2-3-5-13-24/h6-11,14,19H,2-5,12-13,15H2,1H3,(H,22,25)(H,23,26)