4-[3-[[4-[1-(1-adamantylcarbonyl)piperidin-4-yl]piperidin-1-yl]carbonyl-propan-2-yl-amino]-2-oxidanyl-propoxy]indole-1-sulfinate

Systemtic Name: 4-[3-[[4-[1-(1-adamantylcarbonyl)piperidin-4-yl]piperidin-1-yl]carbonyl-propan-2-yl-amino]-2-oxidanyl-propoxy]indole-1-sulfinate Openeye Name: 4-[3-[[4-[1-(adamantane-1-carbonyl)-4-piperidyl]piperidine-1-carbonyl]-isopropyl-amino]-2-hydroxy-propoxy]indole-1-sulfinate CAS Name: 4-[3-[[[4-[1-[1-adamantyl(oxo)methyl]-4-piperidinyl]-1-piperidinyl]-oxomethyl]-propan-2-ylamino]-2-hydroxypropoxy]-1-indolesulfinate IUPAC Name: 4-[3-[[4-[1-(adamantane-1-carbonyl)piperidin-4-yl]piperidine-1-carbonyl]-propan-2-ylamino]-2-hydroxypropoxy]indole-1-sulfinate Traditional Name: 4-[3-[[4-[1-(adamantane-1-carbonyl)-4-piperidyl]piperidine-1-carbonyl]-isopropyl-amino]-2-hydroxy-propoxy]indole-1-sulfinate Formula: C36H51N4O6S- MolecularWeight: 667.87834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(COC1=CC=CC2=C1C=CN2S(=O)[O-])O)C(=O)N3CCC(CC3)C4CCN(CC4)C(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC(C)N(CC(COC1=CC=CC2=C1C=CN2S(=O)[O-])O)C(=O)N3CCC(CC3)C4CCN(CC4)C(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C36H52N4O6S/c1-24(2)39(22-30(41)23-46-33-5-3-4-32-31(33)10-15-40(32)47(44)45)35(43)38-13-8-29(9-14-38)28-6-11-37(12-7-28)34(42)36-19-25-16-26(20-36)18-27(17-25)21-36/h3-5,10,15,24-30,41H,6-9,11-14,16-23H2,1-2H3,(H,44,45)/p-1