N-(3-carbamimidoylphenyl)-3-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-2-(phenylsulfonylamino)propanamide

Systemtic Name: N-(3-carbamimidoylphenyl)-3-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-2-(phenylsulfonylamino)propanamide Openeye Name: 2-(benzenesulfonamido)-N-(3-carbamimidoylphenyl)-3-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]propanamide CAS Name: 2-(benzenesulfonamido)-N-(3-carbamimidoylphenyl)-3-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]propanamide IUPAC Name: 2-(benzenesulfonamido)-N-(3-carbamimidoylphenyl)-3-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanamide Traditional Name: 3-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-N-(3-amidinophenyl)-2-(benzenesulfonamido)propionamide Formula: C29H34N6O4S MolecularWeight: 562.68306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)CC(C(=O)NC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)CC(C(=O)NC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H34N6O4S/c1-20(30)35-16-14-25(15-17-35)39-24-12-10-21(11-13-24)18-27(34-40(37,38)26-8-3-2-4-9-26)29(36)33-23-7-5-6-22(19-23)28(31)32/h2-13,19,25,27,30,34H,14-18H2,1H3,(H3,31,32)(H,33,36)