N-[3-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[3-(1-azepanylsulfonyl)anilino]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-keto-propyl]thiophene-3-carboxamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C20H25N3O4S2/c24-19(8-10-21-20(25)16-9-13-28-15-16)22-17-6-5-7-18(14-17)29(26,27)23-11-3-1-2-4-12-23/h5-7,9,13-15H,1-4,8,10-12H2,(H,21,25)(H,22,24)