[[2-[[3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino] naphthalene-2-sulfinate

Systemtic Name: [[2-[[3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino] naphthalene-2-sulfinate Openeye Name: [[2-[[1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]amino]-2-oxo-ethyl]amino] naphthalene-2-sulfinate CAS Name: 2-naphthalenesulfinic acid [[2-[[3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]amino]-2-oxoethyl]amino] ester IUPAC Name: [[2-[[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-2-oxoethyl]amino] naphthalene-2-sulfinate Traditional Name: naphthalene-2-sulfinic acid [[2-[[1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]amino]-2-keto-ethyl]amino] ester Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)CNOS(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)CNOS(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-36-37(35)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)