2-azanyl-2-butyl-5-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-oxidanylidene-4-propyl-piperazine-1-sulfonic acid

Systemtic Name: 2-azanyl-2-butyl-5-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-oxidanylidene-4-propyl-piperazine-1-sulfonic acid Openeye Name: 2-amino-2-butyl-5-(7-methoxytetralin-2-yl)-3-oxo-4-propyl-piperazine-1-sulfonic acid CAS Name: 2-amino-2-butyl-5-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-oxo-4-propyl-1-piperazinesulfonic acid IUPAC Name: 2-amino-2-butyl-5-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-oxo-4-propylpiperazine-1-sulfonic acid Traditional Name: 2-amino-2-butyl-3-keto-5-(7-methoxytetralin-2-yl)-4-propyl-piperazine-1-sulfonic acid Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)N(C(CN1S(=O)(=O)O)C2CCC3=C(C2)C=C(C=C3)OC)CCC)N

Isomeric SMILES

CCCCC1(C(=O)N(C(CN1S(=O)(=O)O)C2CCC3=C(C2)C=C(C=C3)OC)CCC)N

InChI

InChI=1S/C22H35N3O5S/c1-4-6-11-22(23)21(26)24(12-5-2)20(15-25(22)31(27,28)29)17-8-7-16-9-10-19(30-3)14-18(16)13-17/h9-10,14,17,20H,4-8,11-13,15,23H2,1-3H3,(H,27,28,29)