N-[5-carbamimidoyl-2-[3-oxidanylidene-3-[6-(phenylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]phenyl]ethanamide

Systemtic Name: N-[5-carbamimidoyl-2-[3-oxidanylidene-3-[6-(phenylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]phenyl]ethanamide Openeye Name: N-[2-[3-[6-(benzenesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-3-oxo-propyl]-5-carbamimidoyl-phenyl]acetamide CAS Name: N-[2-[3-[6-(benzenesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-5-carbamimidoylphenyl]acetamide IUPAC Name: N-[2-[3-[6-(benzenesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-5-carbamimidoylphenyl]acetamide Traditional Name: N-[5-amidino-2-[3-[6-(benzenesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-3-keto-propyl]phenyl]acetamide Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=N)N)CCC(=O)N2CCCC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=N)N)CCC(=O)N2CCCC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N5O4S/c1-18(33)30-24-17-21(27(28)29)10-9-19(24)11-14-26(34)32-15-5-6-20-16-22(12-13-25(20)32)31-37(35,36)23-7-3-2-4-8-23/h2-4,7-10,12-13,16-17,31H,5-6,11,14-15H2,1H3,(H3,28,29)(H,30,33)