N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-chloranyl-thiophene-2-sulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-chloranyl-thiophene-2-sulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-chloro-thiophene-2-sulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-chloro-2-thiophenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-chlorothiophene-2-sulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-chloro-thiophene-2-sulfonamide Formula: C17H21ClN2O4S3 MolecularWeight: 449.00764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(S2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(S2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H21ClN2O4S3/c1-13-6-7-14(19-26(21,22)17-9-8-16(18)25-17)12-15(13)27(23,24)20-10-4-2-3-5-11-20/h6-9,12,19H,2-5,10-11H2,1H3