N-[2-(azepan-1-yl)ethyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-[(8-quinolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-[(8-quinolinylsulfonylamino)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-[(8-quinolylsulfonylamino)methyl]cyclohexanecarboxamide Formula: C25H36N4O3S MolecularWeight: 472.64334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H36N4O3S/c30-25(27-15-18-29-16-3-1-2-4-17-29)22-12-10-20(11-13-22)19-28-33(31,32)23-9-5-7-21-8-6-14-26-24(21)23/h5-9,14,20,22,28H,1-4,10-13,15-19H2,(H,27,30)