N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxo-propyl]thiophene-2-carboxamide CAS Name: N-[3-[4-(1-azepanylsulfonyl)anilino]-3-oxopropyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-keto-propyl]thiophene-2-carboxamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CS3

InChI

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