3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[4-[(4-ethoxyanilino)-oxomethyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(p-phenetylcarbamoyl)phenyl]benzamide Formula: C28H30ClN3O5S MolecularWeight: 556.0729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C28H30ClN3O5S/c1-2-37-24-14-12-23(13-15-24)30-27(33)20-7-10-22(11-8-20)31-28(34)21-9-16-25(29)26(19-21)38(35,36)32-17-5-3-4-6-18-32/h7-16,19H,2-6,17-18H2,1H3,(H,30,33)(H,31,34)