N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(3-methylquinolin-8-yl)sulfonylamino]-1H-indol-3-yl]propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(3-methylquinolin-8-yl)sulfonylamino]-1H-indol-3-yl]propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-[2-[(3-methyl-8-quinolyl)sulfonylamino]-1H-indol-3-yl]propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-[2-[(3-methyl-8-quinolinyl)sulfonylamino]-1H-indol-3-yl]propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(3-methylquinolin-8-yl)sulfonylamino]-1H-indol-3-yl]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-[2-[(3-methyl-8-quinolyl)sulfonylamino]-1H-indol-3-yl]propionamide Formula: C28H33N7O3S MolecularWeight: 547.67172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC3=C(C4=CC=CC=C4N3)CCC(=O)NCC5CCCN(C5)C(=N)N

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC3=C(C4=CC=CC=C4N3)CCC(=O)NCC5CCCN(C5)C(=N)N

InChI

InChI=1S/C28H33N7O3S/c1-18-14-20-7-4-10-24(26(20)32-15-18)39(37,38)34-27-22(21-8-2-3-9-23(21)33-27)11-12-25(36)31-16-19-6-5-13-35(17-19)28(29)30/h2-4,7-10,14-15,19,33-34H,5-6,11-13,16-17H2,1H3,(H3,29,30)(H,31,36)