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

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[3-(1-azepanylsulfonyl)-4-methylanilino]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-keto-propyl]thiophene-3-carboxamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CSC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CSC=C2)S(=O)(=O)N3CCCCCC3

InChI

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