2-[3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoylamino]thiophene-3-carboxamide Traditional Name: 2-[[3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]amino]thiophene-3-carboxamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C20H23N3O4S2/c21-19(25)17-11-14-28-20(17)22-18(24)10-7-15-5-8-16(9-6-15)29(26,27)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13H2,(H2,21,25)(H,22,24)