5-[5-[(butan-2-ylamino)methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

Systemtic Name: 5-[5-[(butan-2-ylamino)methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Openeye Name: 3-(1-ethylsulfonyl-4-piperidyl)-5-[5-[(sec-butylamino)methyl]-3-thienyl]-1H-indole-7-carboxamide CAS Name: 5-[5-[(butan-2-ylamino)methyl]-3-thiophenyl]-3-(1-ethylsulfonyl-4-piperidinyl)-1H-indole-7-carboxamide IUPAC Name: 5-[5-[(butan-2-ylamino)methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Traditional Name: 3-(1-esyl-4-piperidyl)-5-[5-[(sec-butylamino)methyl]-3-thienyl]-1H-indole-7-carboxamide Formula: C25H34N4O3S2 MolecularWeight: 502.69246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC(=CS1)C2=CC(=C3C(=C2)C(=CN3)C4CCN(CC4)S(=O)(=O)CC)C(=O)N

Isomeric SMILES

CCC(C)NCC1=CC(=CS1)C2=CC(=C3C(=C2)C(=CN3)C4CCN(CC4)S(=O)(=O)CC)C(=O)N

InChI

InChI=1S/C25H34N4O3S2/c1-4-16(3)27-13-20-10-19(15-33-20)18-11-21-23(14-28-24(21)22(12-18)25(26)30)17-6-8-29(9-7-17)34(31,32)5-2/h10-12,14-17,27-28H,4-9,13H2,1-3H3,(H2,26,30)