cyclohexylsulfamic acid; 1-methyl-N-[2-[1-(phenylmethyl)indol-3-yl]sulfanylethyl]pyrrolidin-2-imine; hydrate

Systemtic Name: cyclohexylsulfamic acid; 1-methyl-N-[2-[1-(phenylmethyl)indol-3-yl]sulfanylethyl]pyrrolidin-2-imine; hydrate Openeye Name: N-[2-(1-benzylindol-3-yl)sulfanylethyl]-1-methyl-pyrrolidin-2-imine; cyclohexylsulfamic acid; hydrate CAS Name: cyclohexylsulfamic acid; 1-methyl-N-[2-[[1-(phenylmethyl)-3-indolyl]thio]ethyl]-2-pyrrolidinimine; hydrate IUPAC Name: N-[2-(1-benzylindol-3-yl)sulfanylethyl]-1-methylpyrrolidin-2-imine; cyclohexylsulfamic acid; hydrate Traditional Name: 2-[(1-benzylindol-3-yl)thio]ethyl-(1-methylpyrrolidin-2-ylidene)amine; cyclohexylsulfamic acid; hydrate Formula: C28H40N4O4S2 MolecularWeight: 560.7716

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1=NCCSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4.C1CCC(CC1)NS(=O)(=O)O.O

Isomeric SMILES

CN1CCCC1=NCCSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4.C1CCC(CC1)NS(=O)(=O)O.O

InChI

InChI=1S/C22H25N3S.C6H13NO3S.H2O/c1-24-14-7-12-22(24)23-13-15-26-21-17-25(16-18-8-3-2-4-9-18)20-11-6-5-10-19(20)21;8-11(9,10)7-6-4-2-1-3-5-6;/h2-6,8-11,17H,7,12-16H2,1H3;6-7H,1-5H2,(H,8,9,10);1H2