N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H21ClN2O3S2/c22-19-17-7-3-4-8-18(17)28-20(19)21(25)23-15-9-11-16(12-10-15)29(26,27)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-14H2,(H,23,25)