N-[(1-carbamimidoylpiperidin-3-yl)carbamoyl]-2-[(4-cyanophenyl)sulfonylamino]-N-cyclopropyl-propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)carbamoyl]-2-[(4-cyanophenyl)sulfonylamino]-N-cyclopropyl-propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)carbamoyl]-2-[(4-cyanophenyl)sulfonylamino]-N-cyclopropyl-propanamide CAS Name: N-[[(1-carbamimidoyl-3-piperidinyl)amino]-oxomethyl]-2-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylpropanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)carbamoyl]-2-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylpropanamide Traditional Name: N-[(1-amidino-3-piperidyl)carbamoyl]-2-[(4-cyanophenyl)sulfonylamino]-N-cyclopropyl-propionamide Formula: C20H27N7O4S MolecularWeight: 461.53788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1CC1)C(=O)NC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)N(C1CC1)C(=O)NC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H27N7O4S/c1-13(25-32(30,31)17-8-4-14(11-21)5-9-17)18(28)27(16-6-7-16)20(29)24-15-3-2-10-26(12-15)19(22)23/h4-5,8-9,13,15-16,25H,2-3,6-7,10,12H2,1H3,(H3,22,23)(H,24,29)