ethyl 4-[[5-(azepan-1-ylsulfonyl)-1H-indol-2-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-1H-indol-2-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(azepan-1-ylsulfonyl)-1H-indole-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-(1-azepanylsulfonyl)-1H-indol-2-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(azepan-1-ylsulfonyl)-1H-indole-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-(azepan-1-ylsulfonyl)-1H-indole-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H30N4O5S/c1-2-31-22(28)25-13-11-24(12-14-25)21(27)20-16-17-15-18(7-8-19(17)23-20)32(29,30)26-9-5-3-4-6-10-26/h7-8,15-16,23H,2-6,9-14H2,1H3